6YY7
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![BU of 6yy7 by Molmil](/molmil-images/mine/6yy7) | Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with inhibitor | 分子名称: | 1,2-ETHANEDIOL, Phosphoribosylaminoimidazole-succinocarboxamide synthase, SULFATE ION, ... | 著者 | Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L. | 登録日 | 2020-05-04 | 公開日 | 2021-05-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach. Acs Infect Dis., 8, 2022
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6QPP
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![BU of 6qpp by Molmil](/molmil-images/mine/6qpp) | Rhizomucor miehei lipase propeptide complex, native | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase | 著者 | Moroz, O.V, Blagova, E, Reiser, V, Saikia, R, Dalal, S, Jorgensen, C.I, Baunsgaard, L, Andersen, B, Svendsen, A, Wilson, K.S. | 登録日 | 2019-02-14 | 公開日 | 2019-03-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Novel Inhibitory Function of theRhizomucor mieheiLipase Propeptide and Three-Dimensional Structures of Its Complexes with the Enzyme. Acs Omega, 4, 2019
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8BDT
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![BU of 8bdt by Molmil](/molmil-images/mine/8bdt) | Ternary complex between VCB, BRD4-BD2 and PROTAC 51 | 分子名称: | (2~{S},4~{R})-~{N}-[(1~{S})-3-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Elongin-B, ... | 著者 | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A.A. | 登録日 | 2022-10-20 | 公開日 | 2023-02-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design. Chemmedchem, 18, 2023
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6GMI
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![BU of 6gmi by Molmil](/molmil-images/mine/6gmi) | Genetic Engineering of an Artificial Metalloenzyme for Transfer Hydrogenation of a Self-Immolative Substrate in E. coli's Periplasm. | 分子名称: | IRIDIUM (III) ION, Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III) | 著者 | Rebelein, J.G. | 登録日 | 2018-05-26 | 公開日 | 2018-10-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Genetic Engineering of an Artificial Metalloenzyme for Transfer Hydrogenation of a Self-Immolative Substrate in Escherichia coli's Periplasm. J. Am. Chem. Soc., 140, 2018
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6YUT
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![BU of 6yut by Molmil](/molmil-images/mine/6yut) | Structure of recombinant human beta-glucocerebrosidase in complex with N-acyl functionalised cyclophellitol aziridine | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Rowland, R.J, Davies, G.J. | 登録日 | 2020-04-27 | 公開日 | 2021-05-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Design, Synthesis and Structural Analysis of Glucocerebrosidase Imaging Agents. Chemistry, 27, 2021
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6K6S
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6BID
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![BU of 6bid by Molmil](/molmil-images/mine/6bid) | 1.15 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic inhibitor | 分子名称: | 3C-like protease, benzyl [(8S,11S,14S)-11-(cyclohexylmethyl)-8-(hydroxymethyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate | 著者 | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Weerawarna, P.M, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C. | 登録日 | 2017-11-01 | 公開日 | 2018-11-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease. Proteins, 87, 2019
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6QPR
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![BU of 6qpr by Molmil](/molmil-images/mine/6qpr) | Rhizomucor miehei lipase propeptide complex, Ser95/Ile96 deletion mutant | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase | 著者 | Moroz, O.V, Blagova, E, Reiser, V, Saikia, R, Dalal, S, Jorgensen, C.I, Baunsgaard, L, Andersen, B, Svendsen, A, Wilson, K.S. | 登録日 | 2019-02-14 | 公開日 | 2019-03-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Novel Inhibitory Function of theRhizomucor mieheiLipase Propeptide and Three-Dimensional Structures of Its Complexes with the Enzyme. Acs Omega, 4, 2019
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7R66
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6QPS
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![BU of 6qps by Molmil](/molmil-images/mine/6qps) | Structural characterization of a mannuronic acid specific polysaccharide family 6 lyase enzyme from human gut microbiota | 分子名称: | ACETATE ION, CALCIUM ION, Polysaccharide Lyase Family 6 | 著者 | Fredslund, F, Stender, E.G.P, Svensson, B, Welner, D.H. | 登録日 | 2019-02-14 | 公開日 | 2019-09-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.287 Å) | 主引用文献 | Structural and functional aspects of mannuronic acid-specific PL6 alginate lyase from the human gut microbeBacteroides cellulosilyticus. J.Biol.Chem., 294, 2019
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6YSW
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![BU of 6ysw by Molmil](/molmil-images/mine/6ysw) | E. coli anaerobic trifunctional enzyme subunit-alpha in complex with coenzyme A | 分子名称: | COENZYME A, Fatty acid oxidation complex subunit alpha, SULFATE ION | 著者 | Sah-Teli, S.K, Hynonen, M.J, Wierenga, R.K, Venkatesan, R. | 登録日 | 2020-04-23 | 公開日 | 2021-05-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | 主引用文献 | Structural basis for different membrane-binding properties of E. coli anaerobic and human mitochondrial beta-oxidation trifunctional enzymes Structure, 2023
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7RII
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![BU of 7rii by Molmil](/molmil-images/mine/7rii) | [I11L]hyen D crystal structure | 分子名称: | Cyclotide hyen-D, PHOSPHATE ION | 著者 | Du, Q, Huang, Y.H, Craik, D.J, Wang, C.K. | 登録日 | 2021-07-20 | 公開日 | 2021-09-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | Enabling efficient folding and high-resolution crystallographic analysis of bracelet cyclotides Molecules, 26(18), 2021
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6QZT
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8BVE
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![BU of 8bve by Molmil](/molmil-images/mine/8bve) | MoeA2 from Corynebacterium glutamicum | 分子名称: | CITRIC ACID, Molybdopterin molybdenumtransferase, SODIUM ION | 著者 | Martinez, M, Haouz, A, Wehenkel, A.M, Alzari, P.M. | 登録日 | 2022-12-03 | 公開日 | 2023-02-22 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Eukaryotic-like gephyrin and cognate membrane receptor coordinate corynebacterial cell division and polar elongation. Biorxiv, 2023
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7RCM
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![BU of 7rcm by Molmil](/molmil-images/mine/7rcm) | Crystal Structure of ADP-bound Galactokinase | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Galactokinase, ... | 著者 | Whitby, F.G. | 登録日 | 2021-07-07 | 公開日 | 2021-09-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors. J.Med.Chem., 64, 2021
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6YYB
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![BU of 6yyb by Molmil](/molmil-images/mine/6yyb) | Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with inhibitor | 分子名称: | 4-azanyl-6-[1-[(1~{R})-1-phenylethyl]pyrazol-4-yl]pyrimidine-5-carbonitrile, Phosphoribosylaminoimidazole-succinocarboxamide synthase, SULFATE ION | 著者 | Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L. | 登録日 | 2020-05-04 | 公開日 | 2021-05-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach. Acs Infect Dis., 8, 2022
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6R0B
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![BU of 6r0b by Molmil](/molmil-images/mine/6r0b) | T. cruzi FPPS in complex with 3-((4-(5-chlorobenzo[d]thiazol-2-yl)piperazin-1-yl)methyl)-1H-indol-5-ol | 分子名称: | 3-[[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol, Farnesyl diphosphate synthase, SULFATE ION, ... | 著者 | Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.612 Å) | 主引用文献 | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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5HCE
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![BU of 5hce by Molmil](/molmil-images/mine/5hce) | Ternary complex of human Complement C5 with Ornithodoros moubata OmCI and Rhipicephalus appendiculatus RaCI1 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, Complement C5, ... | 著者 | Jore, M.M, Johnson, S, Lea, S.M. | 登録日 | 2016-01-04 | 公開日 | 2016-03-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.12 Å) | 主引用文献 | Structural basis for therapeutic inhibition of complement C5. Nat.Struct.Mol.Biol., 23, 2016
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6QQS
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![BU of 6qqs by Molmil](/molmil-images/mine/6qqs) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | 分子名称: | 3-(1~{H}-indol-6-yl)-1~{H}-pyrazol-5-amine, tRNA (guanine-N(1)-)-methyltransferase | 著者 | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | 登録日 | 2019-02-19 | 公開日 | 2020-03-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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5VOO
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![BU of 5voo by Molmil](/molmil-images/mine/5voo) | Methionine synthase folate-binding domain with methyltetrahydrofolate from Thermus thermophilus HB8 | 分子名称: | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, 5-methyltetrahydrofolate homocysteine S-methyltransferase, CHLORIDE ION, ... | 著者 | Koutmos, M, Yamada, K. | 登録日 | 2017-05-03 | 公開日 | 2018-01-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The folate-binding module of Thermus thermophilus cobalamin-dependent methionine synthase displays a distinct variation of the classical TIM barrel: a TIM barrel with a `twist'. Acta Crystallogr D Struct Biol, 74, 2018
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8BGL
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![BU of 8bgl by Molmil](/molmil-images/mine/8bgl) | Structure of the dimeric rsCherryRev1.4 | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PAmCherry1 protein, ... | 著者 | Bui, T.Y.H, Van Meervelt, L. | 登録日 | 2022-10-28 | 公開日 | 2023-02-15 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | An unusual disulfide-linked dimerization in the fluorescent protein rsCherryRev1.4. Acta Crystallogr.,Sect.F, 79, 2023
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6YY8
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![BU of 6yy8 by Molmil](/molmil-images/mine/6yy8) | Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with inhibitor | 分子名称: | 1,2-ETHANEDIOL, 4-azanyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile, Phosphoribosylaminoimidazole-succinocarboxamide synthase, ... | 著者 | Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L. | 登録日 | 2020-05-04 | 公開日 | 2021-05-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach. Acs Infect Dis., 8, 2022
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6GXY
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![BU of 6gxy by Molmil](/molmil-images/mine/6gxy) | Tryparedoxin from Trypanosoma brucei in complex with CFT | 分子名称: | 5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one, Tryparedoxin | 著者 | Bader, N, Wagner, A, Hellmich, U, Schindelin, H. | 登録日 | 2018-06-27 | 公開日 | 2019-01-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Inhibitor-Induced Dimerization of an Essential Oxidoreductase from African Trypanosomes. Angew. Chem. Int. Ed. Engl., 58, 2019
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7JNV
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![BU of 7jnv by Molmil](/molmil-images/mine/7jnv) | Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butyramide | 分子名称: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Andring, J.T, McKenna, R. | 登録日 | 2020-08-05 | 公開日 | 2020-11-04 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
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5VK2
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![BU of 5vk2 by Molmil](/molmil-images/mine/5vk2) | Structural basis for antibody-mediated neutralization of Lassa virus | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Hastie, K.M, Zandonatti, M.A, Kleinfelter, L.M, Rowland, M.L, Rowland, M.M, Chandra, K, Branco, L.M, Robinson, J.E, Garry, R.F, Saphire, E.O. | 登録日 | 2017-04-20 | 公開日 | 2017-05-31 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.201 Å) | 主引用文献 | Structural basis for antibody-mediated neutralization of Lassa virus. Science, 356, 2017
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